NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4586 8.3344 116.8099 58.1886 64.5523 172.3778 8 D 4.6974 8.3270 120.4973 52.8429 42.3777 173.9796 9 F 5.4889 8.9296 116.8584 55.2233 41.9141 173.6862 10 V 4.5199 9.2603 112.9442 59.6099 35.2476 174.9059 11 V 4.8283 8.6638 123.2978 61.4020 33.7992 174.3977 12 I 4.8885 9.0980 129.4721 59.4325 40.1655 174.4176 13 K 5.0958 9.0613 129.3169 54.1370 34.5029 175.0857 14 A 4.3375 8.9566 130.5816 52.2662 19.1286 177.3081 15 L 4.7136 8.3531 122.0369 54.1270 42.6460 175.8005 16 E 4.6229 7.5873 115.5665 55.6354 31.6888 174.5410 17 D 4.6281 8.5593 119.7491 54.4250 41.6433 175.9401 18 G 3.8821 8.5114 106.3725 46.7275 0.0000 174.1432 19 V 4.0234 8.2437 120.0131 62.0184 33.1839 174.0819 20 N 5.2244 9.2413 127.1107 51.9750 41.2415 173.4286 21 V 4.5421 8.6995 127.9999 61.8125 33.0014 174.3125 22 I 4.9268 8.7242 130.2957 59.5752 39.6146 175.1874 23 G 4.2052 8.9090 114.9153 45.2748 0.0000 172.4104 24 L 5.3157 9.0531 126.5460 53.0710 43.9460 176.3233 25 T 4.3589 8.8053 114.1223 62.5427 69.6289 173.1431 26 R 4.7076 8.2112 126.2724 54.6794 30.0539 176.7886 27 G 4.0537 8.7132 112.2361 43.9082 0.0000 172.8918 28 A 4.1376 8.2390 122.2390 54.2867 18.4947 177.5845 29 D 4.9669 7.2414 111.6155 52.9699 42.9855 176.2108 30 T 5.2054 8.5149 117.7548 60.9178 71.4763 173.3327 31 R 4.9316 8.3840 122.1331 54.0883 33.4956 174.2091 32 F 4.9175 8.9833 116.1245 57.2909 38.1189 174.7171 33 H 4.2330 8.4534 116.2835 55.5213 30.5128 173.0538 34 H 4.9634 7.3951 117.9946 55.2599 33.3108 172.6179 35 S 4.9195 8.1589 119.0934 56.8931 66.0824 172.9115 36 E 4.4378 9.3428 127.7969 54.8537 30.8305 174.9327 37 K 4.8681 8.6234 126.7556 55.4016 33.7584 176.0493 38 L 4.9650 9.1421 124.5430 53.1127 44.9953 175.5769 39 D 5.1540 9.6263 123.0300 51.8884 43.9165 175.8307 40 K 3.8675 8.7060 121.3615 58.6386 32.3430 176.8575 41 G 4.0285 9.1235 115.4806 45.1225 0.0000 173.2863 42 E 4.3600 8.2007 119.8666 55.8361 31.0347 175.7069 43 V 4.8442 8.3248 123.0261 61.0418 33.8860 174.3072 44 L 4.7715 9.1609 129.8703 53.2607 44.9377 174.7642 45 I 5.0373 8.5006 126.4722 59.5783 39.1378 174.7577 46 A 4.7928 9.3541 128.8673 50.1735 22.3751 174.7274 47 Q 5.0968 8.4582 118.6797 54.1042 31.4393 175.5029 48 F 4.5437 8.6165 121.2495 57.8030 38.8483 175.1451 49 T 4.8091 8.6800 112.5960 59.6933 71.8300 174.1607 50 E 4.0951 8.9159 119.5916 59.4471 29.5584 177.9285 51 H 4.6145 7.7747 111.6053 55.9839 30.2258 174.1703 52 T 5.2350 8.6152 117.3720 61.7627 71.0015 174.6087 53 S 4.8967 8.5842 119.9424 57.5908 64.8464 173.4058 54 A 4.9247 7.6004 118.6281 51.6698 22.2204 175.4194 55 I 4.9881 8.8888 123.0024 59.3310 40.1595 174.7717 56 K 4.5851 9.3911 128.6321 54.6850 34.4607 174.8925 57 V 4.7330 8.3949 126.4685 61.1282 33.7513 174.2337 58 R 4.4592 9.1075 129.1389 54.9499 32.2073 174.5143 59 G 3.9188 8.7132 111.2603 43.4426 0.0000 172.5960 60 K 4.5785 8.5757 120.5617 55.4062 32.8304 175.0970 61 A 5.2006 9.0689 129.4194 50.4123 23.3133 173.8174 62 Y 4.7900 9.3812 122.6438 56.3873 40.4635 174.3316 63 I 4.8993 8.3779 128.3571 59.5327 40.2304 174.5990 64 Q 5.0212 9.0654 126.3048 54.3390 31.4954 174.9428 65 T 4.8930 8.8394 113.9495 59.3441 72.2662 174.6580 66 R 3.6987 8.5820 120.6498 60.1085 29.7923 176.6554 67 H 4.6104 7.7118 112.0659 56.0966 28.7699 173.9241 68 G 3.7135 7.8537 106.9069 44.1700 0.0000 173.3392 69 V 4.5668 7.9241 111.3381 60.4681 33.2336 175.7143 70 I 4.5767 8.4122 122.6224 59.8247 41.9740 173.0793 71 E 5.2612 8.6466 125.9842 54.5495 32.3150 175.5264 72 S 4.7659 9.1447 119.5947 57.2163 65.4678 172.8427 73 E 4.9211 8.6708 121.0114 54.4617 32.2967 176.3277 74 G 3.7239 8.6526 111.3497 45.8484 0.0000 173.4394 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 7 S 8.33 4.46 0.00 4.15 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.33 4.70 0.00 2.85 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.93 5.49 0.00 2.95 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 9.26 4.52 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.90 0.00 0.00 11 V 8.66 4.83 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.23 0.00 0.00 12 I 9.10 4.89 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.55 0.93 0.00 0.00 13 K 9.06 5.10 0.00 1.87 1.81 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.39 7.81 14 A 8.96 4.34 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.35 4.71 0.00 1.70 1.75 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.59 4.62 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 17 D 8.56 4.63 0.00 2.69 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.51 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.24 4.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.96 0.00 0.00 20 N 9.24 5.22 0.00 2.73 2.62 0.00 0.00 6.44 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.70 4.54 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.94 0.00 0.00 22 I 8.72 4.93 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.58 1.05 0.00 0.00 23 G 8.91 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 9.05 5.32 0.00 1.82 1.66 1.05 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.81 4.36 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 26 R 8.21 4.71 0.00 1.85 1.94 0.00 3.33 0.00 0.00 3.07 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.44 0.00 27 G 8.71 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.24 4.14 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.24 4.97 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.51 5.21 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 31 R 8.38 4.93 0.00 1.86 1.98 0.00 2.89 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 32 F 8.98 4.92 0.00 3.11 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.45 4.23 0.00 3.10 3.30 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.40 4.96 0.00 3.30 3.07 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.16 4.92 0.00 3.67 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.34 4.44 0.00 2.16 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 37 K 8.62 4.87 0.00 1.67 1.71 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.43 7.81 38 L 9.14 4.96 0.00 1.51 1.53 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.63 5.15 0.00 2.54 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.71 3.87 0.00 1.82 1.77 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.47 7.81 41 G 9.12 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.20 4.36 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 43 V 8.32 4.84 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.96 0.00 0.00 44 L 9.16 4.77 0.00 1.73 1.47 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.50 5.04 1.71 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.63 0.71 0.00 0.00 46 A 9.35 4.79 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.46 5.10 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 48 F 8.62 4.54 0.00 3.03 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.68 4.81 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 50 E 8.92 4.10 0.00 1.77 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 51 H 7.77 4.61 0.00 3.18 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.62 5.23 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 53 S 8.58 4.90 0.00 3.93 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.60 4.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.89 4.99 1.85 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.66 0.88 0.00 0.00 56 K 9.39 4.59 0.00 1.81 1.66 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.38 7.81 57 V 8.39 4.73 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.93 0.00 0.00 58 R 9.11 4.46 0.00 1.87 1.73 0.00 3.09 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 59 G 8.71 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.58 4.58 0.00 1.97 1.88 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.47 7.81 61 A 9.07 5.20 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 9.38 4.79 0.00 3.03 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.38 4.90 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.66 0.85 0.00 0.00 64 Q 9.07 5.02 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.24 2.14 0.00 65 T 8.84 4.89 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 66 R 8.58 3.70 0.00 1.60 1.78 0.00 3.17 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 67 H 7.71 4.61 0.00 3.18 3.25 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.85 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.92 4.57 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.77 0.00 0.00 70 I 8.41 4.58 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.26 0.85 0.00 0.00 71 E 8.65 5.26 0.00 1.87 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 72 S 9.14 4.77 0.00 3.87 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.67 4.92 0.00 1.84 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 74 G 8.65 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00